2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
TL;DR: 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one (CAS 117516-97-9) is a chemical compound with molecular formula C6H4N2OS2 and molecular weight 183.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, 2-Thioxo-2,3-, 2-sulfanylthieno[2,3-d]pyrimidin-4-ol, 2-mercaptothieno[2,3-d]pyrimidin-4(3H)-one, 2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C6H4N2OS2 |
|---|---|
| Molecular Weight | 183.98 g/mol |
| LogP | 1.64719 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.9765 |
| Heavy Atoms | 11 |
| Complexity | 492.74185 |
Chemical Identifiers
| CAS Number | 117516-97-9 |
|---|---|
| SMILES | C1=CSC2=C1C(=O)NC(=S)N2 |
Product Overview
2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one (CAS 117516-97-9), with molecular formula C6H4N2OS2 and molecular weight 183.98 g/mol. IUPAC: 2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
Property Insights of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
The XLogP value of 1.64719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one. With a topological polar surface area (TPSA) of 48.65 Ų, 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The CAS number of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is 117516-97-9.
What is the molecular formula of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The molecular formula of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is C6H4N2OS2.
What is the molecular weight of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The molecular weight of 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is 183.98 g/mol.
Where can I buy 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
You can request a quote for 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.